Cas no 169755-65-1 (4-Pyrimidinecarboxylicacid, hexahydro-2-methyl-6-oxo-)
169755-65-1 structure
Product Name:4-Pyrimidinecarboxylicacid, hexahydro-2-methyl-6-oxo-
CAS No:169755-65-1
MF:C6H10N2O3
MW:158.155201435089
CID:111251
PubChem ID:45082274
Update Time:2025-04-18
4-Pyrimidinecarboxylicacid, hexahydro-2-methyl-6-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxylicacid, hexahydro-2-methyl-6-oxo-
- 2-methyl-6-oxo-1,3-diazinane-4-carboxylic acid
- 4-Pyrimidinecarboxylicacid,hexahydro-2-methyl-6-oxo-(9CI)
- 2-Methyl-6-oxohexahydropyrimidine-4-carboxylic acid
- 2-Methyl-6-oxohexahydropyrimidine-4-carboxylicacid
- 169755-65-1
- DTXSID40665233
-
- Inchi： 1S/C6H10N2O3/c1-3-7-4(6(10)11)2-5(9)8-3/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)
- InChI Key： FJXPASICOZWLOK-UHFFFAOYSA-N
- SMILES： O=C1CC(C(=O)O)NC(C)N1
Computed Properties
- Exact Mass: 158.06914219g/mol
- Monoisotopic Mass: 158.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.3
- Topological Polar Surface Area: 78.4?2
4-Pyrimidinecarboxylicacid, hexahydro-2-methyl-6-oxo- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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